N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C24H23F3N2O — CID 44758028

IUPACN-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H23F3N2O/c1-29(20-8-3-2-4-9-20)17-7-16-28-23(30)22-11-6-5-10-21(22)18-12-14-19(15-13-18)24(25,26)27/h2-6,8-15H,7,16-17H2,1H3,(H,28,30)
InChIKeyXKTJCBIHDNIVAJ-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.63
Rot. Bonds7

About N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 44758028) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID44758028
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H23F3N2O/c1-29(20-8-3-2-4-9-20)17-7-16-28-23(30)22-11-6-5-10-21(22)18-12-14-19(15-13-18)24(25,26)27/h2-6,8-15H,7,16-17H2,1H3,(H,28,30)
InChIKeyXKTJCBIHDNIVAJ-UHFFFAOYSA-N
XLogP5.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741392
N-(2,2,2-trifluoroethyl)-9-[6-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]propyl]amino]hexyl]fluorene-9-carboxamide
CID 20685279
2,2,2-trifluoroethyl N-[3-(N-methylanilino)propyl]carbamate
CID 65173936
propyl 2-[methyl-[2-[N-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]anilino]ethyl]amino]-2-phenylacetate
CID 58741396
N-butyl-2-phenylbenzamide
CID 21064565
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 44758028) is N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CN(CCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XKTJCBIHDNIVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c1-29(20-8-3-2-4-9-20)17-7-16-28-23(30)22-11-6-5-10-21(22)18-12-14-19(15-13-18)24(25,26)27/h2-6,8-15H,7,16-17H2,1H3,(H,28,30).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 412.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44758028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).